Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein.

Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein. Research Abstract Details 

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Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein. Abstract Text:

Antifreeze proteins (AFPs) are found in different species from polar, alpine, and subarctic regions where they serve to inhibit ice crystal growth by adsorption to ice surfaces. Computational methods have the power to investigate the antifreeze mechanism in atomic detail. Molecular dynamics simulations of water under different conditions have been carried out to test our water model for simulations of biological macromolecules in extreme conditions: very low temperatures (200 K) and at the ice/liquid water interface. We show that the flexible F3C water model reproduces properties of water in the solid phase (ice Ih), the supercooled liquid phase, and at the ice/liquid water interface. Additionally, the hydration of the type III AFP from ocean pout was studied as a function of temperature. Hydration waters on the ice-binding surface of the AFP were less distorted and more tetrahedral than elsewhere on the surface. More ice-like hydrating water structures formed on the ice-binding surface of the protein such that it created an ice-like structure in water within its first hydration layer but not beyond, suggesting that this portion of the protein has high affinity for ice surfaces.

Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein. Publishing Authors By Initials

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Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The journal of physical chemistry. B

VOLUME: 112

Page Numbers: 6193-202

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ISSN: 1520-6106

DAY: 13

MONTH: 03

YEAR: 2008

Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Formation of Ice-like Water Structure on the Surface of an Antifreeze Protein.

AFFILIATION: Department of Bioengineering, University of Washington, Seattle, Washington 98195-5013.

Country: United States

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MEDLINETA: J Phys Chem B

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